3-[2-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]benzoic acid

Systemtic Name: 3-[2-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]benzoic acid Openeye Name: 3-[2-bromo-2-(tert-butoxycarbonylamino)acetyl]benzoic acid CAS Name: 3-[2-bromo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]benzoic acid IUPAC Name: 3-[2-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]benzoic acid Traditional Name: 3-[2-bromo-2-(tert-butoxycarbonylamino)acetyl]benzoic acid Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)C1=CC(=CC=C1)C(=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)C1=CC(=CC=C1)C(=O)O)Br

InChI

InChI=1S/C14H16BrNO5/c1-14(2,3)21-13(20)16-11(15)10(17)8-5-4-6-9(7-8)12(18)19/h4-7,11H,1-3H3,(H,16,20)(H,18,19)